Diphenyl Ether → 4-(2-Fluoro-4-nitrophenoxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

HRID 139649

Reaction equation

HRID 139649 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][cH:9][n:10]2[CH3:11].[Cs+:27].[Cs+:28].[N+:12](=[O:13])([O-:14])[c:15]1[cH:16][c:17]([F:22])[c:18]([OH:21])[cH:19][cH:20]1.[O:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1([O:21][c:18]2[c:17]([F:22])[cH:16][c:15]([N+:12](=[O:13])[O-:14])[cH:20][cH:19]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][cH:9][n:10]2[CH3:11]

Participants

6

Reactant 5

HCID 7583Diphenyl EtherHCID 98252-Fluoro-4-nitrophenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 594245054-Chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

Product 1

HCID 594245774-(2-Fluoro-4-nitrophenoxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

Sources & evidence

ORD record
ord-c60810d0187d43e69083e09f5793df3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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